Basic information
- Standard SMILES
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](Br)O[C@H](CN2C(=O)c3ccccc3C2=O)[C@@H]1OC(C)=O- InChIKey
OSASGFHYHRMGPU-ICUGJSFKSA-N- Molecular formula
- C20H20BrNO9
- Average molar mass
- 498.3 g/mol
- Monoisotopic mass
- 497.03214
Names & identifiers
- Preferred name
- 2,3,4-Tri-O-acetyl-6-deoxy-6-phthalimido-alpha-D-galactopyranosyl bromide
- IUPAC
- [(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-bromo-2-[(1,3-dioxoisoindol-2-yl)methyl]oxan-3-yl] acetate
Names & synonyms
SCHEMBL11123332OSASGFHYHRMGPU-ICUGJSFKSA-N2,3,4-Tri-O-acetyl-6-deoxy-6-phthalimido-alpha-D-galactopyranosyl bromide
Database identifiers
- PubChem CID
- 54166555
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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